MolNFT v1 · #74952 · protein

Crystal structure of PBP3 complexed with aztreonam

3PBS · Penicillin-binding protein 3: “Crystal structure of PBP3 complexed with aztreonam”. X-ray diffraction, 1 ligand (AZR), 2 pockets (best druggability 0.63). MolNFT v1 #74952 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3PBS
Type: protein
Length: 499 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Penicillin-binding protein 3
UniProt: Q51504
Ligands: AZR
Pockets: 2 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Penicillin-binding protein 3	protein	499	35% helix, 25% strand	Q51504

Ligands and binding sites

AZR · 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S, 3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	413	0.63	0.78	39	AZR
2	139	0.45	0.77	23	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

3PBS · Crystal structure of PBP3 complexed with aztreonam · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q51504
Elsewhere: RCSB PDB 3PBS · PDBe 3PBS · UniProt Q51504

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